Complete Structural and Electronic Comparison of Chiral and Racemic Ketohexoses: Hydrogen-Bond Network Topology and Interaction Strength Distribution

Key Points

• This research aims to explore the structural and electronic differences between chiral and racemic ketohexoses.
• Conducted a structural and electronic comparison of chiral and racemic ketohexoses
• Analyzed hydrogen-bond network topology and interaction strength distribution
• Applied Wallach's rule to assess packing density differences
• Racemic crystals exhibited higher densities than enantiopure crystals
• Structural deviations were linked to differences in hydrogen-bonding
• Complementary packing contributed to density variations observed in the study